SCHEMBL1767364

SCHEMBL1767364

O=C(NCc1ccccc1)c1ccnc(-n2cnn(CC3CC3)c2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ROCK1 Q13464 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ POLB P06746 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC3 O15379 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1767551 0.82 SCD (0.53) SCDSMN1; SMN2LMNAHTTPTGER4
SCHEMBL1767391 0.78 SCD (0.52) SCDSMN1; SMN2LMNAHTTROCK1
SCHEMBL1767530 0.74 SCD (0.58) SCDSMN1; SMN2LMNAHTTROCK1
SCHEMBL1568316 0.72 SCD (0.58) SCDSMN1; SMN2LMNAHTTROCK1
SCHEMBL1767431 0.72 SCD (0.67) SCDPOLBKDM4E
SCHEMBL1767416 0.71 SCD (0.56) SCDSMN1; SMN2LMNAPTGER4ALDH1A1
SCHEMBL1767540 0.70 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTROCK1PDE4A
SCHEMBL1767560 0.70 SCD (0.50) SCDLMNAHTTPIK3CAALDH1A1
SCHEMBL1569230 0.70 LMNA (0.49) SCDSMN1; SMN2LMNAHTTROCK1
SCHEMBL1767574 0.69 LMNA (0.54) SMN1; SMN2LMNAHTTROCK1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US claimed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US claimed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US disclosed
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885SMN1; SMN2 3581/4885LMNA 2176/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885SMN1; SMN2 3581/4885LMNA 2176/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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